Andrey I. Panin

Deputy Head of Division Head of the laboratory of high-performance calculations

Ph.D. in Chemistry

Head of the laboratory of high-performance calculations Andrei Ivanovich Panin is Ph.D. in Chemical Physics since 1975. He is author or co-author of more than 80 publications. His scientific articles contribute to such subjects as mathematical methods of multi electron system theory and mathematical problems of quantum chemistry.

A.I. Panin delivers lecture and practical courses “Informatics and Computer Technique” for PhD students of the Chemical Faculty and “High-performance calculations in quantum chemistry” for master’s students of the Chemical Faculty.

Scientific publications

  1. Lopatin S.I., Panin A.I., Shugurov S.M. Stability and structures of gaseous In2MoO4, In2WO4 and In2W2O7. // Dalton Transactions, 2013. Vol. 42, № 23. P. 8339-8346
  2. Lopatin S.I., Panin A.I., Shugurov S.M. Thermodynamic properties and structure of the gaseous BMoO4. // Dalton Transactions, 2013. Vol. 42, № 4. P. 1210-1214
  3. R.A.Evarestov, A.I.Panin Rod groups and their settings as special geometric realisations of line groups // Acta Crystallographica Section A: Foundations of Crystallography, 2012. — Vol. A68, — P. 582-588
  4. N.S.Panina, A.N.Belyaev, A.V.Eremin, M.A.Stepanova, and A.I.Panin Quantum chemical modeling of nucleophilic substitution reactions in the complexes cis-Pt(NH3)2Cl2 and cis-Pd(NH3)2Cl2 // Russian Chemical Bulletin, 2012. — Vol. 61, — № 4. — P. 796-801
  5. A. I. Panin Polynomial approximations of electronic wave functions // Journal of Mathematical Chemistry, 2011. Vol. 49, P. 1599-1623
  6. R.A. Evarestov, M.V. Losev, A.I. Panin, N. S. Mosyagin, A. V. Titov Electronic structure of crystalline uranium nitride: LCAO DFT calculations // Physica Status Solidi (B): Basic Research, 2008. Vol. 245, № 1. P. 114-122
  7. R A Evarestov, A I Panin, A V Bandura, M V Losev Electronic Structure of crystalline uranium nitrides UN,U2N3 and UN2: LCAO calculations with the basis set optimization // Journal of Physics: Conference Series, 2008. Vol. 117, № 1. P. 012015
  8. R.A. Evarestov, A.I. Panin, A.V. Bandura CALCULATIONS OF ELECTRONIC STRUCTURE OF THE UF6 MOLECULE AND THE UO2 CRYSTAL WITH A RELATIVISTIC PSEUDOPOTENTIAL // Russian Journal of General Chemistry, 2008. № 10. P. 1823-1835
  9. R. A. Évarestov, A. I. Panin, M. V. Losev ELECTRONIC STRUCTURE OF CRYSTALLINE URANIUM NITRIDE: LCAO DFT CALCULATIONS, 2007. P. 132-141
  10. Evarestov R. A., Losev M. V., Panin A. I., Mosyagin N. S., Titov A. V. Electronic structure of crystalline uranium nitride: LCAO DFT calculations // Journal of Structural Chemistry, 2007. Vol. 245, № 1. P. 114-122
  11. A.I. Panin 1-DENSITY OPERATORS AND ALGEBRAIC VERSION OF THE HOHENBERG-KOHN THEOREM // International Journal of Quantum Chemistry, 2007. № 4. P. 858-874
  12. A.I. Panin ELECTRONIC FOCK SPACE AS ASSOCIATIVE SUPERALGEBRA // International Journal of Quantum Chemistry, 2006. № 8. P. 1786-1794
  13. A.I. Panin ELECTRONIC FOCK SPACES: PHASE PREFACTORS AND NEW ALGEBRAIC STRUCTURE // International Journal of Quantum Chemistry, 2005. № 3. P. 246-259